[(2S,5S)-4-bromo-5-methyloxolan-2-yl]methanol

C6H11BrO2 — CID 140536422

IUPAC[(2S,5S)-4-bromo-5-methyloxolan-2-yl]methanol
SMILESC[C@@H]1O[C@H](CO)CC1Br
InChIInChI=1S/C6H11BrO2/c1-4-6(7)2-5(3-8)9-4/h4-6,8H,2-3H2,1H3/t4-,5-,6?/m0/s1
InChIKeyDHIXLIPTITZJTH-HVYQYDHPSA-N
MW195.06 g/mol
LogP0.92
Rot. Bonds1

About [(2S,5S)-4-bromo-5-methyloxolan-2-yl]methanol

[(2S,5S)-4-bromo-5-methyloxolan-2-yl]methanol (PubChem CID 140536422) has the molecular formula C6H11BrO2 and a molecular weight of 195.06 g/mol. Its IUPAC name is [(2S,5S)-4-bromo-5-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-4-bromo-5-methyloxolan-2-yl]methanol
PubChem CID140536422
Molecular FormulaC6H11BrO2
Molecular Weight195.06 g/mol
Exact Mass193.99
IUPAC Name[(2S,5S)-4-bromo-5-methyloxolan-2-yl]methanol
SMILESC[C@@H]1O[C@H](CO)CC1Br
InChIInChI=1S/C6H11BrO2/c1-4-6(7)2-5(3-8)9-4/h4-6,8H,2-3H2,1H3/t4-,5-,6?/m0/s1
InChIKeyDHIXLIPTITZJTH-HVYQYDHPSA-N
XLogP0.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-4-bromo-5-methyloxolan-2-yl]methanol?
The IUPAC name of [(2S,5S)-4-bromo-5-methyloxolan-2-yl]methanol (CID 140536422) is [(2S,5S)-4-bromo-5-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-4-bromo-5-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,5S)-4-bromo-5-methyloxolan-2-yl]methanol is C[C@@H]1O[C@H](CO)CC1Br.
What is the InChIKey of [(2S,5S)-4-bromo-5-methyloxolan-2-yl]methanol?
The InChIKey is DHIXLIPTITZJTH-HVYQYDHPSA-N. The full InChI is InChI=1S/C6H11BrO2/c1-4-6(7)2-5(3-8)9-4/h4-6,8H,2-3H2,1H3/t4-,5-,6?/m0/s1.
What are the key properties of [(2S,5S)-4-bromo-5-methyloxolan-2-yl]methanol?
[(2S,5S)-4-bromo-5-methyloxolan-2-yl]methanol has a molecular weight of 195.06 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-4-bromo-5-methyloxolan-2-yl]methanol is sourced from PubChem (CID 140536422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).